D043-0296 Screening compound: methyl 2-(2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

D043-0296 Screening compound: methyl 2-(2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
D043-0296 Screening compound: methyl 2-(2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0296
methyl 2-(2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D043-0296

Molecular Formula

C16H16ClN5O3 (C16 H16 ClN5 O3)

Compound Name

methyl 2-(2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

IUPAC name

methyl 2-(2-{[(3-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)acetate

SMILES

CC(Nc1nc(NCc2cccc(Cl)c2)nn11)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C16H16ClN5O3/c1-9-12(7-13(23)25-2)14(24)22-16(19-9)20-15(21-22)18-8-10-4-3-5-11(17)6-10/h3-6H,7-8H2,1-2H3,(H2,18,19,20,21)

InChI Key

XKJOHCXYVCRPOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06609113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-3.01

Polar Surface Area

82.471

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D043-0296 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D043-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0296?
Check Price and Availability of D043-0296, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D043-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0296
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D043-0296 available by request